Goursot A - Search Results

1

Selective catalytic reduction of NO by NH3 on Cu-faujasite catalysts: an experimental and quantum chemical approach.

Delahay G, Villagomez EA, Ducere JM, Berthomieu D, Goursot A, Coq B. Delahay G, et al. Among authors: goursot a. Chemphyschem. 2002 Aug 16;3(8):686-92. doi: 10.1002/1439-7641(20020816)3:8<686::AID-CPHC686>3.0.CO;2-G. Chemphyschem. 2002. PMID: 12503149

2

Comparative density functional theory study of the binding of ligands to Cu+ and Cu2+: Influence of the coordination and oxidation state.

Ducéré JM, Goursot A, Berthomieu D. Ducéré JM, et al. Among authors: goursot a. J Phys Chem A. 2005 Jan 20;109(2):400-8. doi: 10.1021/jp047971b. J Phys Chem A. 2005. PMID: 16833359

3

Theoretical study of N2O reduction by CO in Fe-BEA Zeolite.

Fischer G, Goursot A, Coq B, Delahay G, Pal S. Fischer G, et al. Among authors: goursot a. Chemphyschem. 2006 Aug 11;7(8):1795-801. doi: 10.1002/cphc.200600228. Chemphyschem. 2006. PMID: 16847843

4

Calculated magnetic properties for the characterization of zeolite active sites.

Goursot A, Berthomieu D. Goursot A, et al. Magn Reson Chem. 2004 Oct;42 Spec no:S180-6. doi: 10.1002/mrc.1429. Magn Reson Chem. 2004. PMID: 15366052

5

Theoretical study of Cu(I)Y zeolite: structure and electronic properties.

Jardillier N, Berthomieu D, Goursot A, Reveles JU, Köster AM. Jardillier N, et al. Among authors: goursot a. J Phys Chem B. 2006 Sep 21;110(37):18440-6. doi: 10.1021/jp063568o. J Phys Chem B. 2006. PMID: 16970469

6

Lipid thermodynamics: melting is molecular.

Krishnamurty S, Stefanov M, Mineva T, Bégu S, Devoisselle JM, Goursot A, Zhu R, Salahub DR. Krishnamurty S, et al. Among authors: goursot a. Chemphyschem. 2008 Nov 10;9(16):2321-4. doi: 10.1002/cphc.200800511. Chemphyschem. 2008. PMID: 18924197 No abstract available.

7

Contribution of high-energy conformations to NMR chemical shifts, a DFT-BOMD study.

Goursot A, Mineva T, Vásquez-Pérez JM, Calaminici P, Köster AM, Salahub DR. Goursot A, et al. Phys Chem Chem Phys. 2013 Jan 21;15(3):860-7. doi: 10.1039/c2cp43514d. Phys Chem Chem Phys. 2013. PMID: 23202583

8

Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomers.

Goursot A, Mineva T, Bissig C, Gruenberg J, Salahub DR. Goursot A, et al. J Phys Chem B. 2010 Dec 2;114(47):15712-20. doi: 10.1021/jp108361d. Epub 2010 Nov 5. J Phys Chem B. 2010. PMID: 21053942

9

Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clusters.

Rapacioli M, Spiegelman F, Talbi D, Mineva T, Goursot A, Heine T, Seifert G. Rapacioli M, et al. Among authors: goursot a. J Chem Phys. 2009 Jun 28;130(24):244304. doi: 10.1063/1.3152882. J Chem Phys. 2009. PMID: 19566150

10

Density functional theory-based conformational analysis of a phospholipid molecule (dimyristoyl phosphatidylcholine).

Krishnamurty S, Stefanov M, Mineva T, Bégu S, Devoisselle JM, Goursot A, Zhu R, Salahub DR. Krishnamurty S, et al. Among authors: goursot a. J Phys Chem B. 2008 Oct 23;112(42):13433-42. doi: 10.1021/jp804934d. Epub 2008 Sep 26. J Phys Chem B. 2008. PMID: 18817435

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